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(S)-1-acetyl-2-(3-bromophenyl)-2,3-dihydroquinolin-4(1H)-one
SpectraBase Compound ID IU3ynNi7QJo
InChI InChI=1S/C17H14BrNO2/c1-11(20)19-15-8-3-2-7-14(15)17(21)10-16(19)12-5-4-6-13(18)9-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKey SNEWOUYOEMGSBR-INIZCTEOSA-N
Mol Weight 344.21 g/mol
Molecular Formula C17H14BrNO2
Exact Mass 343.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab1Mp5Ai1mK
Name (S)-1-acetyl-2-(3-bromophenyl)-2,3-dihydroquinolin-4(1H)-one
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Formula C17H14BrNO2
InChI InChI=1S/C17H14BrNO2/c1-11(20)19-15-8-3-2-7-14(15)17(21)10-16(19)12-5-4-6-13(18)9-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKey SNEWOUYOEMGSBR-INIZCTEOSA-N
Instrument Name HRMS
Ionization Type EI
Molecular Weight 344.208 g/mol
Optical Rotation [a]D20 = -158.5?? (c = 0.77, CHCl3)
SMILES c1ccc2c(c1)C(C[C@](N2C(=O)C)(c1cccc(c1)Br)[H])=O
SPLASH splash10-0f6w-6509000000-babb5a8f514f3c1cd00b
Sample Comments 96% ee
Source of Spectrum CN101723893A
Wiley ID 1841621